2-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[1-(benzenesulfonyl)-3-bromo-indol-2-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[1-(benzenesulfonyl)-3-bromo-2-indolyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[1-(benzenesulfonyl)-3-bromoindol-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(1-besyl-3-bromo-indol-2-yl)methylthio]-1H-benzimidazole Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2CSC4=NC5=CC=CC=C5N4)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2CSC4=NC5=CC=CC=C5N4)Br

InChI

InChI=1S/C22H16BrN3O2S2/c23-21-16-10-4-7-13-19(16)26(30(27,28)15-8-2-1-3-9-15)20(21)14-29-22-24-17-11-5-6-12-18(17)25-22/h1-13H,14H2,(H,24,25)